Geometry & MOs

Info

ID:	273228
PubChem CID:	103770726
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	355.07831
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	1.98
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=CC=C1SC)O

DOS

IR

Vibrations